CID 4962525

853723-99-6

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1CC1N2C(=O)C3=CC=CC=C3N4C2(CCC4=O)C(=O)O
InChI
InChI=1S/C15H14N2O4/c18-12-7-8-15(14(20)21)16(9-5-6-9)13(19)10-3-1-2-4-11(10)17(12)15/h1-4,9H,5-8H2,(H,20,21)
InChIKey
LHSNRGLXMNVPDN-UHFFFAOYSA-N
Compound name
4-cyclopropyl-1,5-dioxo-2,3-dihydropyrrolo[1,2-a]quinazoline-3a-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

286.09537 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 170.6
[M+Na]+ 309.08459 181.0
[M-H]- 285.08809 175.6
[M+NH4]+ 304.12919 183.6
[M+K]+ 325.05853 175.6
[M+H-H2O]+ 269.09263 164.1
[M+HCOO]- 331.09357 184.8
[M+CH3COO]- 345.10922 180.9
[M+Na-2H]- 307.07004 172.5
[M]+ 286.09482 171.9
[M]- 286.09592 171.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.